7E6D

Crystal structure of cysteine desulfurase SufS R376A from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.000
Spacegroup name	P 31 2 1
Unit cell lengths	92.500, 92.500, 128.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.290 - 2.670
R-factor	0.1748
Rwork	0.172
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zs9
RMSD bond length	0.011
RMSD bond angle	1.934
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.290	46.290	2.770
High resolution limit [Å]	2.670	10.000	2.670
Rmerge	0.074	0.018	0.937
Rmeas	0.076	0.019	0.960
Total number of observations	368454
Number of reflections	18572	405	1913
<I/σ(I)>	32.22	115.61	3.44
Completeness [%]	100.0	98.3	99.9
Redundancy	19.839	16.659	20.562
CC(1/2)	1.000	1.000	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M Tris-HCl, 50 mM Lithium sulfate, 50%(v/v) PEG200